6-[[2,2-bis(fluoranylmethyl)-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]oxy]-2-methyl-pyridazin-3-one

Systemtic Name: 6-[[2,2-bis(fluoranylmethyl)-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]oxy]-2-methyl-pyridazin-3-one Openeye Name: 6-[2,2-bis(fluoromethyl)-3-hydroxy-6-nitro-chroman-4-yl]oxy-2-methyl-pyridazin-3-one CAS Name: 6-[[2,2-bis(fluoromethyl)-3-hydroxy-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-2-methyl-3-pyridazinone IUPAC Name: 6-[[2,2-bis(fluoromethyl)-3-hydroxy-6-nitro-3,4-dihydrochromen-4-yl]oxy]-2-methylpyridazin-3-one Traditional Name: 6-[2,2-bis(fluoromethyl)-3-hydroxy-6-nitro-chroman-4-yl]oxy-2-methyl-pyridazin-3-one Formula: C16H15F2N3O6 MolecularWeight: 383.303606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)OC2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(CF)CF)O

Isomeric SMILES

CN1C(=O)C=CC(=N1)OC2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(CF)CF)O

InChI

InChI=1S/C16H15F2N3O6/c1-20-13(22)5-4-12(19-20)26-14-10-6-9(21(24)25)2-3-11(10)27-16(7-17,8-18)15(14)23/h2-6,14-15,23H,7-8H2,1H3